4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide

C20H12F2IN3O4 — CID 46196215

IUPAC4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide
SMILESNC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C20H12F2IN3O4/c21-9-5-15(25-13-3-1-10(23)7-12(13)22)18(19(24)27)17(6-9)29-11-2-4-16-14(8-11)26-20(28)30-16/h1-8,25H,(H2,24,27)(H,26,28)
InChIKeyWUKAUWACUXJAGM-UHFFFAOYSA-N
MW523.23 g/mol
LogP4.64
Rot. Bonds5

About 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide

4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide (PubChem CID 46196215) has the molecular formula C20H12F2IN3O4 and a molecular weight of 523.23 g/mol. Its IUPAC name is 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide.

Molecular Properties

Compound Name4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide
PubChem CID46196215
Molecular FormulaC20H12F2IN3O4
Molecular Weight523.23 g/mol
Exact Mass522.98
IUPAC Name4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide
SMILESNC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C20H12F2IN3O4/c21-9-5-15(25-13-3-1-10(23)7-12(13)22)18(19(24)27)17(6-9)29-11-2-4-16-14(8-11)26-20(28)30-16/h1-8,25H,(H2,24,27)(H,26,28)
InChIKeyWUKAUWACUXJAGM-UHFFFAOYSA-N
XLogP4.64
TPSA110.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.23
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide?
The IUPAC name of 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide (CID 46196215) is 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide.
What is the SMILES notation for 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide?
The canonical SMILES for 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide is NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide?
The InChIKey is WUKAUWACUXJAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2IN3O4/c21-9-5-15(25-13-3-1-10(23)7-12(13)22)18(19(24)27)17(6-9)29-11-2-4-16-14(8-11)26-20(28)30-16/h1-8,25H,(H2,24,27)(H,26,28).
What are the key properties of 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide?
4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide has a molecular weight of 523.23 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[(2-oxo-3H-1,3-benzoxazol-5-yl)oxy]benzamide is sourced from PubChem (CID 46196215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).